BDBM50442106 CHEMBL2441078

SMILES: COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1

InChI Key: InChIKey=JQGOVQUEQSAZSW-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50442106   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50442106 (CHEMBL2441078) Show SMILES COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1 Show InChI InChI=1S/C29H42F2N6O2/c1-38-25-19-23-24(20-26(25)39-18-4-13-35-11-2-3-12-35)33-28(37-16-9-29(30,31)10-17-37)34-27(23)32-21-7-14-36(15-8-21)22-5-6-22/h19-22H,2-18H2,1H3,(H,32,33,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of lysine methyltransferase G9a (unknown origin) using [3H]-SAM as substrate after 0.25 hrs by scintillation proximity assay				J Med Chem 56: 8931-42 (2013) Article DOI: 10.1021/jm401480r BindingDB Entry DOI: 10.7270/Q2NZ892T
					More data for this Ligand-Target Pair
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50442106 (CHEMBL2441078) Show SMILES COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1 Show InChI InChI=1S/C29H42F2N6O2/c1-38-25-19-23-24(20-26(25)39-18-4-13-35-11-2-3-12-35)33-28(37-16-9-29(30,31)10-17-37)34-27(23)32-21-7-14-36(15-8-21)22-5-6-22/h19-22H,2-18H2,1H3,(H,32,33,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of lysine methyltransferase G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 cellular level by immunofluorescence in-cell We...				J Med Chem 56: 8931-42 (2013) Article DOI: 10.1021/jm401480r BindingDB Entry DOI: 10.7270/Q2NZ892T
					More data for this Ligand-Target Pair